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Published on: March 12, 2020

以化学信息学为指导的无细胞天然产品的探索

Jarrett M Pelton¹, Joshua E Hochuli², Patric W Sadecki³

¹Division of Chemical Biology and Medicinal Chemistry, UNC Eshelman School of Pharmacy, University of North Carolina at Chapel Hill, Chapel Hill, North Carolina 27599, United States.

Journal of the American Chemical Society

|March 12, 2024

概括

无细胞翻译系统现在产生复杂的天然产物 (NP) 和类似物. 一个新的算法和优化的方法扩大了这些分子的可访问化学空间.

科学领域:

合成生物学
计算化学
生物化学

背景情况:

在体外无细胞翻译系统的进步使得天然产品 (NP) 的生产成为可能.
加入非正规氨基酸和重组酶扩大了NP合成的能力.
仍需探索无细胞技术的全部潜力,以获取多样化的NP化学空间.

研究的目的:

通过当前的无细胞技术评估可访问的NP空间.
开发一个用于分析NP构件和预测合成可访问性的计算工具.
扩大无细胞工具箱,用于合成新型和复杂的NP.

主要方法:

开发了一种解析算法,将NP分解为核糖体翻译构件.
进行了NP的生物物理性质分析和逆生物合成分析.
通过使用大环酶PatG和PCY1合成了一组修饰的NP库.
建立并优化可伸缩酶的核糖体结合.

主要成果:

鉴定了富含NP的高优先级构建块,但尚未在无细胞系统中进行测试.
证明了高度修饰的NP的细胞自由转化可行性.
在无细胞翻译系统中成功结合了皮佩拉酸,扩大了可访问的化学空间.

结论:

无细胞翻译是一种可行的NP总合成方法,具有不断扩大的技术限制.
开发的计算工具有助于探索NP化学空间.
未来的工作可以利用这些进步来设计NP和NP类分子的核糖体生物合成途径.

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